By transition metals （Fe, Ni, Mn, Co） and their alloys as catalysts during the diamond synthesis, some transition phases will be formed, such as FeaC type carbides and y solid solutions. Based on the empirical elect...By transition metals （Fe, Ni, Mn, Co） and their alloys as catalysts during the diamond synthesis, some transition phases will be formed, such as FeaC type carbides and y solid solutions. Based on the empirical electron theory of the solid and molecules, the valence electron structures of different kinds of carbides and y solid solutions and the relative electron density differences of various diamond/carbide and y solid solution/carbide interfaces were calculated and analyzed in this paper. The electron structure conditions of the ideal catalyst were presented by analyzing the different catalytic effects of the catalysts, which provide a new theoretical path to the optimal design of the catalyst composition展开更多
基金financially supported by the Natural Science Foundation of Hebei Province(No.E2013402004)
文摘By transition metals （Fe, Ni, Mn, Co） and their alloys as catalysts during the diamond synthesis, some transition phases will be formed, such as FeaC type carbides and y solid solutions. Based on the empirical electron theory of the solid and molecules, the valence electron structures of different kinds of carbides and y solid solutions and the relative electron density differences of various diamond/carbide and y solid solution/carbide interfaces were calculated and analyzed in this paper. The electron structure conditions of the ideal catalyst were presented by analyzing the different catalytic effects of the catalysts, which provide a new theoretical path to the optimal design of the catalyst composition
